3-噻吩甲醛(498-62-4)紅外圖譜(IR1)

產(chǎn)品名稱:3-噻吩甲醛

CAS:498-62-4

分子式:C5H4OS

分子量: 112.15

InChI:InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H

InChIKey: RBIGKSZIQCTIJF-UHFFFAOYSA-N

Smiles:C1SC=CC=1C=O

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4642          
3-thiophenecarbaldehyde
C5H4OS              (Mass of molecular ion:    112)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.3
      28.0       1.6
      29.0       5.4
      37.0       4.2
      38.0       6.5
      39.0      37.5
      40.0       1.7
      42.0       1.5
      44.0       1.4
      45.0      23.0
      47.0       1.1
      49.0       1.9
      50.0       5.3
      51.0       3.5
      53.0       1.2
      56.0       1.1
      57.0       8.2
      58.0      10.2
      69.0       2.9
      81.0       4.5
      82.0       5.5
      83.0      29.8
      84.0       3.7
      85.0       1.8
     111.0     100.0
     112.0      95.0
     113.0      10.6
     114.0       4.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₄ O S	0.04 ml : 0.5 ml CDCl₃
3-thiophenecarbaldehyde

    Assign.     Shift(ppm)

      A             9.922
      B             8.125
      C             7.526
      D             7.371
     
     J(B,C)=1.2HZ. J(B,D)=2.8HZ. J(C,D)=5.1HZ. J(A,D)=0.8HZ. J(A,C)=0.4HZ.

     Hz     ppm     Int.

    889.01   9.927    941
    888.50   9.921   1000
    729.93   8.151    631
    728.61   8.136    692
    727.08   8.119    713
    725.83   8.105    763
    724.07   8.085     58
    723.05   8.074     36
    678.08   7.572    294
    677.12   7.561    310
    676.83   7.558    313
    675.51   7.543     47
    672.95   7.514    624
    672.00   7.504    576
    671.70   7.501    592
    669.21   7.473     39
    667.75   7.456     30
    663.87   7.413    483
    663.06   7.404    501
    661.01   7.381    452
    660.21   7.372    464
    658.74   7.356    278
    657.93   7.347    285
    655.96   7.325    247
    655.15   7.316    257
    653.32   7.295     32

in CDCl3